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{
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"results": [
{
"id": "mp-1196528",
"created_at": "2022-09-04T14:44:21.832414Z",
"structure_string": "Ce8 Sb16 Ir12\n1.0\n4.568106 0.000000 0.000000\n0.000000 10.966699 0.000000\n0.000000 0.000000 16.306349\nCe Sb Ir\n8 16 12\ndirect\n0.250000 0.745091 0.505158 Ce\n0.250000 0.754909 0.005158 Ce\n0.750000 0.254909 0.494842 Ce\n0.750000 0.245091 0.994842 Ce\n0.250000 0.588778 0.750343 Ce\n0.250000 0.911222 0.250343 Ce\n0.750000 0.411222 0.249657 Ce\n0.750000 0.088779 0.749657 Ce\n0.250000 0.274306 0.650313 Sb\n0.250000 0.225694 0.150313 Sb\n0.750000 0.725694 0.349687 Sb\n0.750000 0.774306 0.849687 Sb\n0.250000 0.888008 0.711694 Sb\n0.250000 0.611992 0.211694 Sb\n0.750000 0.111992 0.288306 Sb\n0.750000 0.388008 0.788306 Sb\n0.250000 0.062885 0.893941 Sb\n0.250000 0.437115 0.393941 Sb\n0.750000 0.937115 0.106059 Sb\n0.750000 0.562885 0.606059 Sb\n0.250000 0.446265 0.932010 Sb\n0.250000 0.053735 0.432010 Sb\n0.750000 0.553735 0.067990 Sb\n0.750000 0.946265 0.567990 Sb\n0.250000 0.467696 0.556242 Ir\n0.250000 0.032304 0.056242 Ir\n0.750000 0.532304 0.443758 Ir\n0.750000 0.967696 0.943758 Ir\n0.250000 0.055942 0.592805 Ir\n0.250000 0.444058 0.092805 Ir\n0.750000 0.944058 0.407195 Ir\n0.750000 0.555942 0.907195 Ir\n0.250000 0.274328 0.816633 Ir\n0.250000 0.225672 0.316633 Ir\n0.750000 0.725672 0.183367 Ir\n0.750000 0.774328 0.683367 Ir\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Sb",
"Ir"
],
"chemical_system": "Ce-Ir-Sb",
"density": 10.927344766306874,
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"volume": 816.899875213327,
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"formula_full": "Ce8 Sb16 Ir12",
"formula_reduced": "Ce2Sb4Ir3",
"formula_anonymous": "A2B3C4",
"energy": -244.36550263,
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"updated_at": "2021-11-28T01:36:41.507000Z",
"spacegroup": 62
},
{
"id": "mp-775335",
"created_at": "2022-09-04T14:44:21.856875Z",
"structure_string": "Li4 Cr6 Fe2 O16\n1.0\n5.876437 -0.001714 -0.021257\n-2.939703 5.091715 0.042514\n-0.034882 0.060416 9.534755\nLi Cr Fe O\n4 6 2 16\ndirect\n0.331826 0.668265 0.895015 Li\n0.000440 0.000340 0.997154 Li\n0.999560 0.999900 0.497154 Li\n0.668174 0.336438 0.395016 Li\n0.168990 0.831930 0.212454 Cr\n0.170164 0.340064 0.215068 Cr\n0.662419 0.831917 0.212460 Cr\n0.337581 0.169498 0.712460 Cr\n0.831010 0.662940 0.712454 Cr\n0.829836 0.169898 0.715068 Cr\n0.336522 0.664784 0.488369 Fe\n0.663478 0.328262 0.988369 Fe\n0.163837 0.838416 0.606520 O\n0.040294 0.527403 0.335714 O\n0.334793 0.671616 0.103452 O\n0.998747 0.995642 0.312604 O\n0.001253 0.996893 0.812604 O\n0.172539 0.324492 0.603403 O\n0.482719 0.963024 0.332079 O\n0.489809 0.527989 0.335125 O\n0.324571 0.153106 0.104502 O\n0.675429 0.828534 0.604502 O\n0.517281 0.480305 0.832079 O\n0.510191 0.038180 0.835125 O\n0.665207 0.336822 0.603452 O\n0.836163 0.674580 0.106520 O\n0.959706 0.487110 0.835714 O\n0.827461 0.151953 0.103403 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.118465705952172,
"density_atomic": 0.09816720817467081,
"volume": 285.22762866169177,
"volume_molar": 6.134574744434708,
"formula_full": "Li4 Cr6 Fe2 O16",
"formula_reduced": "Li2Cr3FeO8",
"formula_anonymous": "AB2C3D8",
"energy": -220.71553791,
"energy_per_atom": -7.8826977825,
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"updated_at": "2021-11-28T01:36:38.779000Z",
"spacegroup": 9
},
{
"id": "mp-1225739",
"created_at": "2022-09-04T14:44:21.878344Z",
"structure_string": "Er2 Ga3 Fe14 C2\n1.0\n4.269426 4.861869 0.000000\n-4.269426 4.861869 0.000000\n0.000000 0.948686 6.436307\nEr Ga Fe C\n2 3 14 2\ndirect\n0.346100 0.346100 0.340589 Er\n0.653900 0.653900 0.659411 Er\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.092606 0.092606 0.095068 Fe\n0.907394 0.907394 0.904932 Fe\n0.653961 0.653961 0.151581 Fe\n0.653483 0.151626 0.655830 Fe\n0.151626 0.653483 0.655830 Fe\n0.346039 0.346039 0.848419 Fe\n0.346517 0.848374 0.344170 Fe\n0.848374 0.346517 0.344170 Fe\n0.707857 0.292143 0.000000 Fe\n0.286553 0.000196 0.713785 Fe\n0.999804 0.713447 0.286215 Fe\n0.713447 0.999804 0.286215 Fe\n0.000196 0.286553 0.713785 Fe\n0.292143 0.707857 0.000000 Fe\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 21,
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"elements": [
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"Fe",
"C"
],
"chemical_system": "C-Er-Fe-Ga",
"density": 8.386772335905539,
"density_atomic": 0.07859226491616485,
"volume": 267.20186805153037,
"volume_molar": 7.662510765434584,
"formula_full": "Er2 Ga3 Fe14 C2",
"formula_reduced": "Er2Ga3(Fe7C)2",
"formula_anonymous": "A2B2C3D14",
"energy": -158.47539474,
"energy_per_atom": -7.546447368571429,
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"updated_at": "2021-11-28T01:36:39.629000Z",
"spacegroup": 12
},
{
"id": "mp-760112",
"created_at": "2022-09-04T14:44:21.880048Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n4.060161 0.000002 0.041009\n0.000004 8.956603 -0.000034\n-0.060157 -0.000022 5.940288\nLi Mn O F\n8 4 8 4\ndirect\n0.250063 0.745598 0.861434 Li\n0.250065 0.754385 0.361426 Li\n0.749926 0.245604 0.638609 Li\n0.749924 0.254423 0.138555 Li\n0.249957 0.412042 0.887613 Li\n0.249966 0.087974 0.387651 Li\n0.750026 0.911946 0.612473 Li\n0.750027 0.588042 0.112325 Li\n0.750004 0.596655 0.612389 Mn\n0.750088 0.903448 0.112633 Mn\n0.249949 0.096792 0.887526 Mn\n0.249944 0.403210 0.387476 Mn\n0.249999 0.572535 0.605023 O\n0.250032 0.927471 0.105075 O\n0.749984 0.072622 0.894998 O\n0.749974 0.427335 0.394829 O\n0.249962 0.240553 0.654150 O\n0.249963 0.259428 0.154149 O\n0.750024 0.740478 0.845789 O\n0.750035 0.759463 0.345859 O\n0.250061 0.919246 0.616185 F\n0.250059 0.580754 0.116193 F\n0.749980 0.419187 0.883807 F\n0.749986 0.080809 0.383831 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6837481354129853,
"density_atomic": 0.11108943062929168,
"volume": 216.0421550821394,
"volume_molar": 5.420984449993303,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy": -157.87862001,
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"updated_at": "2021-11-28T01:36:22.654000Z",
"spacegroup": 62
},
{
"id": "mp-1175385",
"created_at": "2022-09-04T14:44:07.688406Z",
"structure_string": "Li7 Mn5 O12\n1.0\n2.999489 0.000000 0.000000\n0.000000 5.073030 0.000000\n0.000000 0.669617 14.483602\nLi Mn O\n7 5 12\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.823251 0.660126 Li\n0.000000 0.673617 0.832311 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.326383 0.167689 Li\n0.500000 0.176749 0.339874 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.663303 0.339877 Mn\n0.000000 0.336697 0.660123 Mn\n0.500000 0.162600 0.831135 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.837400 0.168865 Mn\n0.000000 0.645266 0.590833 O\n0.500000 0.466304 0.744358 O\n0.000000 0.315808 0.919056 O\n0.500000 0.146667 0.086323 O\n0.000000 0.980479 0.249629 O\n0.500000 0.814340 0.406265 O\n0.000000 0.354734 0.409167 O\n0.500000 0.185660 0.593735 O\n0.000000 0.019521 0.750371 O\n0.500000 0.853333 0.913677 O\n0.000000 0.684192 0.080944 O\n0.500000 0.533696 0.255642 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
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"density": 3.882332163884682,
"density_atomic": 0.10889801296429873,
"volume": 220.38969625523097,
"volume_molar": 5.530074053761025,
"formula_full": "Li7 Mn5 O12",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -168.93639188,
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"updated_at": "2021-11-28T01:36:34.894000Z",
"spacegroup": 10
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{
"id": "mp-11242",
"created_at": "2022-09-04T14:44:07.658052Z",
"structure_string": "Dy1 Pb1 Au1\n1.0\n0.000000 3.424314 3.424314\n3.424314 0.000000 3.424314\n3.424314 3.424314 0.000000\nDy Pb Au\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.750000 Au\n",
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"density": 11.7172568312331,
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"volume": 80.30650766760213,
"volume_molar": 16.120569770610647,
"formula_full": "Dy1 Pb1 Au1",
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"spacegroup": 216
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{
"id": "mp-1186340",
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"structure_string": "Nd2 Y6\n1.0\n3.664782 -6.347589 0.000000\n3.664782 6.347589 0.000000\n0.000000 0.000000 5.815573\nNd Y\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.834126 0.165874 0.750000 Y\n0.331748 0.165874 0.750000 Y\n0.834126 0.668252 0.750000 Y\n0.165874 0.834126 0.250000 Y\n0.668252 0.834126 0.250000 Y\n0.165874 0.331748 0.250000 Y\n",
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"formula_full": "Nd2 Y6",
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{
"id": "mp-865985",
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"structure_string": "Cd1 Pd3\n1.0\n-2.028004 2.028004 4.022466\n2.028004 -2.028004 4.022466\n2.028004 2.028004 -4.022466\nCd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"updated_at": "2021-11-28T01:36:30.420000Z",
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{
"id": "mp-1176788",
"created_at": "2022-09-04T14:44:21.857226Z",
"structure_string": "Li2 Bi8 O14\n1.0\n-6.830601 0.000000 0.000000\n-0.609878 -7.321838 0.000000\n2.850691 2.841942 7.170139\nLi Bi O\n2 8 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.230610 0.619607 0.215255 Bi\n0.654069 0.862929 0.146525 Bi\n0.202864 0.607998 0.725229 Bi\n0.678824 0.854620 0.625956 Bi\n0.321176 0.145380 0.374044 Bi\n0.797136 0.392002 0.274771 Bi\n0.345931 0.137071 0.853475 Bi\n0.769390 0.380393 0.784745 Bi\n0.264163 0.855110 0.103435 O\n0.039729 0.927396 0.731183 O\n0.307613 0.918157 0.499001 O\n0.163514 0.482204 0.421761 O\n0.604944 0.674223 0.305165 O\n0.455308 0.229139 0.170292 O\n0.134558 0.389591 0.897269 O\n0.865442 0.610409 0.102731 O\n0.544692 0.770861 0.829708 O\n0.395056 0.325777 0.694835 O\n0.836486 0.517796 0.578239 O\n0.692387 0.081843 0.500999 O\n0.960271 0.072604 0.268817 O\n0.735837 0.144890 0.896565 O\n",
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"density": 8.843240946813307,
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"formula_full": "Li2 Bi8 O14",
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{
"id": "mp-1207870",
"created_at": "2022-09-04T14:44:21.874304Z",
"structure_string": "V4 Bi4 O8\n1.0\n-3.179628 3.179628 6.205188\n3.179628 -3.179628 6.205188\n3.179628 3.179628 -6.205188\nV Bi O\n4 4 8\ndirect\n0.375000 0.125000 0.250000 V\n0.875000 0.125000 0.750000 V\n0.875000 0.125000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.875000 0.625000 0.250000 Bi\n0.375000 0.625000 0.750000 Bi\n0.375000 0.625000 0.250000 Bi\n0.375000 0.125000 0.750000 Bi\n0.178492 0.391194 0.212701 O\n0.178492 0.965791 0.787299 O\n0.141194 0.428492 0.712701 O\n0.571508 0.858806 0.287299 O\n0.715791 0.428492 0.287299 O\n0.571508 0.284209 0.712701 O\n0.608806 0.821508 0.787299 O\n0.034209 0.821508 0.212701 O\n",
"nsites": 16,
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"formula_full": "V4 Bi4 O8",
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"updated_at": "2021-11-28T01:36:24.179000Z",
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{
"id": "mp-1201595",
"created_at": "2022-09-04T14:44:07.423717Z",
"structure_string": "Fe4 S6 O46\n1.0\n6.527457 0.000000 0.000000\n-1.960857 6.759210 0.000000\n-2.425620 -1.837273 25.033515\nFe S O\n4 6 46\ndirect\n0.105095 0.336566 0.093827 Fe\n0.894905 0.663434 0.906173 Fe\n0.487955 0.167873 0.625097 Fe\n0.512045 0.832127 0.374903 Fe\n0.250537 0.944898 0.279049 S\n0.749463 0.055102 0.720951 S\n0.098545 0.773031 0.577420 S\n0.901455 0.226969 0.422580 S\n0.433704 0.757068 0.080124 S\n0.566296 0.242932 0.919876 S\n0.073874 0.961403 0.309603 O\n0.926126 0.038597 0.690397 O\n0.411807 0.139112 0.280416 O\n0.588193 0.860888 0.719584 O\n0.168173 0.868147 0.223785 O\n0.831827 0.131853 0.776215 O\n0.356516 0.796405 0.305402 O\n0.643484 0.203595 0.694598 O\n0.207095 0.687430 0.538372 O\n0.792905 0.312570 0.461628 O\n0.992057 0.618154 0.610980 O\n0.007943 0.381846 0.389020 O\n0.053122 0.130675 0.448187 O\n0.946878 0.869325 0.551813 O\n0.270878 0.929685 0.614703 O\n0.729122 0.070315 0.385297 O\n0.333661 0.837346 0.035087 O\n0.666339 0.162654 0.964913 O\n0.467111 0.091865 0.876300 O\n0.532889 0.908135 0.123700 O\n0.414113 0.342402 0.938853 O\n0.585887 0.657598 0.061147 O\n0.253289 0.602202 0.104399 O\n0.746711 0.397798 0.895601 O\n0.022697 0.402397 0.215005 O\n0.977303 0.597603 0.784995 O\n0.494370 0.377450 0.178701 O\n0.505630 0.622550 0.821299 O\n0.033929 0.103095 0.119652 O\n0.966071 0.896905 0.880348 O\n0.217130 0.235502 0.047887 O\n0.782870 0.764498 0.952113 O\n0.156932 0.688953 0.917461 O\n0.843068 0.311047 0.082539 O\n0.348944 0.793568 0.440966 O\n0.651056 0.206432 0.559034 O\n0.307480 0.454953 0.669807 O\n0.692520 0.545047 0.330193 O\n0.530983 0.500277 0.354560 O\n0.469017 0.499723 0.645440 O\n0.495387 0.287236 0.549616 O\n0.504613 0.712764 0.450384 O\n0.415619 0.463444 0.795957 O\n0.584381 0.536556 0.204043 O\n0.101687 0.732033 0.764829 O\n0.898313 0.267967 0.235171 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Fe-O-S",
"density": 1.7315803926507,
"density_atomic": 0.050702133433875855,
"volume": 1104.49001269411,
"volume_molar": 11.87748986510378,
"formula_full": "Fe4 S6 O46",
"formula_reduced": "Fe2S3O23",
"formula_anonymous": "A2B3C23",
"energy": -315.32832471,
"energy_per_atom": -5.63086294125,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.89832471,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 39.5066257,
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"updated_at": "2021-11-28T01:36:31.813000Z",
"spacegroup": 2
},
{
"id": "mp-1103109",
"created_at": "2022-09-04T14:44:08.072759Z",
"structure_string": "La4 Al4 Pt4\n1.0\n4.567642 0.000000 0.000000\n0.000000 7.311450 0.000000\n0.000000 0.000000 7.891805\nLa Al Pt\n4 4 4\ndirect\n0.250000 0.034157 0.680706 La\n0.250000 0.534157 0.819294 La\n0.750000 0.965843 0.319294 La\n0.750000 0.465843 0.180706 La\n0.250000 0.143510 0.068523 Al\n0.250000 0.643510 0.431477 Al\n0.750000 0.856490 0.931477 Al\n0.750000 0.356490 0.568523 Al\n0.250000 0.286436 0.389467 Pt\n0.250000 0.786436 0.110533 Pt\n0.750000 0.713564 0.610533 Pt\n0.750000 0.213564 0.889467 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Al",
"Pt"
],
"chemical_system": "Al-La-Pt",
"density": 9.097236684918752,
"density_atomic": 0.04553122430111051,
"volume": 263.5553992715131,
"volume_molar": 13.226397603925445,
"formula_full": "La4 Al4 Pt4",
"formula_reduced": "LaAlPt",
"formula_anonymous": "ABC",
"energy": -71.6735231,
"energy_per_atom": -5.972793591666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -71.6735231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.158000Z",
"spacegroup": 62
}
]
}